2-(methylamino)-3-nitrophenol

C7H8N2O3 — CID 3600720

IUPAC2-(methylamino)-3-nitrophenol
SMILESCNc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-8-7-5(9(11)12)3-2-4-6(7)10/h2-4,8,10H,1H3
InChIKeyYRXTXZPCCCVUOS-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.34
Rot. Bonds2

About 2-(methylamino)-3-nitrophenol

2-(methylamino)-3-nitrophenol (PubChem CID 3600720) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(methylamino)-3-nitrophenol.

Molecular Properties

Compound Name2-(methylamino)-3-nitrophenol
PubChem CID3600720
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(methylamino)-3-nitrophenol
SMILESCNc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-8-7-5(9(11)12)3-2-4-6(7)10/h2-4,8,10H,1H3
InChIKeyYRXTXZPCCCVUOS-UHFFFAOYSA-N
XLogP1.34
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-nitrophenol?
The IUPAC name of 2-(methylamino)-3-nitrophenol (CID 3600720) is 2-(methylamino)-3-nitrophenol.
What is the SMILES notation for 2-(methylamino)-3-nitrophenol?
The canonical SMILES for 2-(methylamino)-3-nitrophenol is CNc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-3-nitrophenol?
The InChIKey is YRXTXZPCCCVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-8-7-5(9(11)12)3-2-4-6(7)10/h2-4,8,10H,1H3.
What are the key properties of 2-(methylamino)-3-nitrophenol?
2-(methylamino)-3-nitrophenol has a molecular weight of 168.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-nitrophenol is sourced from PubChem (CID 3600720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).